methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate

C10H17NO4 — CID 45038525

IUPACmethyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3/t7-,9?/m0/s1
InChIKeyCUOGQSHIYFHDEM-JAVCKPHESA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds2

About methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate

methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate (PubChem CID 45038525) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
PubChem CID45038525
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3/t7-,9?/m0/s1
InChIKeyCUOGQSHIYFHDEM-JAVCKPHESA-N
XLogP0.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 70948298
methyl (2R,4R)-2-tert-butyl-5,5-dideuterio-3-formyl-1,3-thiazolidine-4-carboxylate
CID 101232737
methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate
CID 10805271
methyl (2R,4S)-2-tert-butyl-3-[(2R)-2-chloro-2-phenylacetyl]-1,3-oxazolidine-4-carboxylate
CID 10759552
methyl (2R,4R)-3-formyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 131844650
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
3-O-tert-butyl 4-O-propan-2-yl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 164784727
3-O-tert-butyl 4-O-propan-2-yl (2S,4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 155185679
methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946
dimethyl 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane-5,10-dicarboxylate
CID 90845318
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
1-O-tert-butyl 2-O-methyl (2S,5S)-5-formylpyrrolidine-1,2-dicarboxylate
CID 10445185

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate (CID 45038525) is methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(C(C)(C)C)N1C=O.
What is the InChIKey of methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is CUOGQSHIYFHDEM-JAVCKPHESA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3/t7-,9?/m0/s1.
What are the key properties of methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 45038525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).